Materials Data on LaNiSnH by Materials Project

doi:10.17188/1263011

Title: Materials Data on LaNiSnH by Materials Project

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Abstract

LaNiSnH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 3-coordinate geometry to six equivalent Sn and three equivalent H atoms. There are a spread of La–Sn bond distances ranging from 3.31–3.46 Å. There are one shorter (2.37 Å) and two longer (2.48 Å) La–H bond lengths. Ni is bonded in a single-bond geometry to four equivalent Sn and one H atom. There are a spread of Ni–Sn bond distances ranging from 2.68–3.07 Å. The Ni–H bond length is 1.60 Å. Sn is bonded in a 12-coordinate geometry to six equivalent La and four equivalent Ni atoms. H is bonded to three equivalent La and one Ni atom to form a mixture of edge and corner-sharing HLa3Ni tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-510577

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; LaNiSnH; H-La-Ni-Sn

OSTI Identifier:: 1263011

DOI:: https://doi.org/10.17188/1263011

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                    The Materials Project. Materials Data on LaNiSnH by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263011.

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                    The Materials Project. Materials Data on LaNiSnH by Materials Project.  United States.  doi:https://doi.org/10.17188/1263011

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                    The Materials Project. 2020.  
"Materials Data on LaNiSnH by Materials Project".  United States.  doi:https://doi.org/10.17188/1263011.  https://www.osti.gov/servlets/purl/1263011. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1263011,

  title        = {Materials Data on LaNiSnH by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaNiSnH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 3-coordinate geometry to six equivalent Sn and three equivalent H atoms. There are a spread of La–Sn bond distances ranging from 3.31–3.46 Å. There are one shorter (2.37 Å) and two longer (2.48 Å) La–H bond lengths. Ni is bonded in a single-bond geometry to four equivalent Sn and one H atom. There are a spread of Ni–Sn bond distances ranging from 2.68–3.07 Å. The Ni–H bond length is 1.60 Å. Sn is bonded in a 12-coordinate geometry to six equivalent La and four equivalent Ni atoms. H is bonded to three equivalent La and one Ni atom to form a mixture of edge and corner-sharing HLa3Ni tetrahedra.},

  doi          = {10.17188/1263011},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1263011

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